5-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(2,3-dihydrobenzofuran-5-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(2,3-dihydrobenzofuran-5-yl)-3-[3-(1-pyrrolidinylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-coumaran-5-yl-3-[3-(pyrrolidinomethyl)phenyl]-1H-1,2,4-triazole Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CCN(C1)CC2=CC=CC(=C2)C3=NNC(=N3)C4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C21H22N4O/c1-2-10-25(9-1)14-15-4-3-5-17(12-15)20-22-21(24-23-20)18-6-7-19-16(13-18)8-11-26-19/h3-7,12-13H,1-2,8-11,14H2,(H,22,23,24)